Geometry & MOs

Info

ID:	330502
PubChem CID:	127247909
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	335.232125
ΔH_f, kcal/mol:	-54.21
Dipole, Da:	1.98
IP(EA), eV:	-8.88(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethyl-1-propylpyrazole-4-carbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)CN(C)CC2=CN=CC=C2)C

DOS

IR

Vibrations