Geometry & MOs

Info

ID:	156645
PubChem CID:	56371495
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	416.10994
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	2.53
IP(EA), eV:	-8.65(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2-hydroxyphenyl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations