Geometry & MOs

Info

ID:	330559
PubChem CID:	127247966
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	335.232125
ΔH_f, kcal/mol:	-41.73
Dipole, Da:	2.43
IP(EA), eV:	-8.8(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C2CCOCC2)CC3=NC=CN=C3

DOS

IR

Vibrations