Geometry & MOs

Info

ID:	367382
PubChem CID:	127324387
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	-68.91
Dipole, Da:	4.3
IP(EA), eV:	-9.41(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-pyrazol-1-ylethyl)-4-(thiophene-3-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2CCN(CC2)C(=O)NCCN3C=CC=N3

DOS

IR

Vibrations