Geometry & MOs

Info

ID:	74591
PubChem CID:	48422136
Reduced:	N4O4C21H32 (1)
Stoich.:	A4B4C21D32 (1)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	-169.44
Dipole, Da:	3.29
IP(EA), eV:	-9.41(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(cyclopropylmethoxy)propanoyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1CCCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations