Geometry & MOs

Info

ID:	330561
PubChem CID:	127247968
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-107.11
Dipole, Da:	3.75
IP(EA), eV:	-8.95(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[(6-methylpyridin-3-yl)methyl]-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3CCOCC3

DOS

IR

Vibrations