Geometry & MOs

Info

ID:	354736
PubChem CID:	127287449
Reduced:	O3N5C19H31 (1)
Stoich.:	A3B5C19D31 (1)
Weight, g/mol:	324.252526
ΔH_f, kcal/mol:	-109.99
Dipole, Da:	7.76
IP(EA), eV:	-9.13(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-4-propan-2-yl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)NCC3CCN(CC3)C(=O)C

DOS

IR

Vibrations