Geometry & MOs

Info

ID:	368043
PubChem CID:	127326813
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	-113.78
Dipole, Da:	4.2
IP(EA), eV:	-8.89(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(C)N1CCOCC1)NC(=O)N(C)C2CCCN(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations