Geometry & MOs

Info

ID:	311198
PubChem CID:	126589869
Reduced:	BrN2O3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	457.200156
ΔH_f, kcal/mol:	-151.29
Dipole, Da:	3.89
IP(EA), eV:	-8.5(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6S,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)CO)Br)N2CCC(CC2)(C)C)CC(=O)OC(C)C

DOS

IR

Vibrations