Geometry & MOs

Info

ID:	370789
PubChem CID:	127340573
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-22.15
Dipole, Da:	4.63
IP(EA), eV:	-8.53(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclopentyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCCN(CC2)C3CCCC3

DOS

IR

Vibrations