Geometry & MOs

Info

ID:	142431
PubChem CID:	53033303
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-105.38
Dipole, Da:	3.53
IP(EA), eV:	-8.22(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-2-(4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C4CCCC4C2=O)OC

DOS

IR

Vibrations