Geometry & MOs

Info

ID:	349545
PubChem CID:	127275432
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	334.157581
ΔH_f, kcal/mol:	-83.63
Dipole, Da:	4.01
IP(EA), eV:	-8.7(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylpyrazol-3-yl)-4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=CC=CC(=C2)C

DOS

IR

Vibrations