Geometry & MOs

Info

ID:	330485
PubChem CID:	127247892
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-70.81
Dipole, Da:	2.96
IP(EA), eV:	-8.8(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCN(CC(C2)C(=O)NC)C

DOS

IR

Vibrations