Geometry & MOs

Info

ID:	364257
PubChem CID:	127314561
Reduced:	ON2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	-73.2
Dipole, Da:	3.77
IP(EA), eV:	-8.56(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)N1CCCC(C1)(C)C

DOS

IR

Vibrations