Geometry & MOs

Info

ID:	311248
PubChem CID:	126590042
Reduced:	BrN2O2C18H25 (1)
Stoich.:	AB2C2D18E25 (1)
Weight, g/mol:	457.200156
ΔH_f, kcal/mol:	-86.26
Dipole, Da:	1.7
IP(EA), eV:	-8.62(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7S)-11-[(3-methylphenyl)methyl]-4-(3-morpholin-4-ylphenyl)-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)Br)N2CC3CCC2C3)CC(=O)OC(C)C

DOS

IR

Vibrations