Geometry & MOs

Info

ID:	190070
PubChem CID:	77950117
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	490.294391
ΔH_f, kcal/mol:	-59.73
Dipole, Da:	5.58
IP(EA), eV:	-8.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxy-2-pentylphenyl)methyl]-N-methyl-3-(2-oxospiro[4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-3,1'-cyclopentane]-7-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2O1)CN(C)C(=O)C=CC3=CC(=C(N=C3)N)C(C)(C)OC

DOS

IR

Vibrations