Geometry & MOs

Info

ID:	75063
PubChem CID:	48422936
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	4.64
IP(EA), eV:	-8.78(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzyl-1,4-diazepan-1-yl)-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations