Geometry & MOs

Info

ID:	180498
PubChem CID:	76644009
Reduced:	O2N4C37H42 (1)
Stoich.:	A2B4C37D42 (1)
Weight, g/mol:	424.247441
ΔH_f, kcal/mol:	9.21
Dipole, Da:	4.05
IP(EA), eV:	-8.94(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(aminomethyl)-4-(2,2-diphenylethyl)-3-oxo-1,4-diazepan-2-yl]-N-methoxy-N-methylacetamide

Drug info:

PubChemData

Smile

C1CN(C1)CCCC2C(=O)N(CCC(N2)CNC(=O)C3=CC4=CC=CC=C4C=C3)CC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations