Geometry & MOs

Info

ID:	65073
PubChem CID:	29204429
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-112.98
Dipole, Da:	4.11
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-N'-(3-carbamoylthiophen-2-yl)butanediamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)C[C@H]2[C@@H]([C@H](CC2=O)C)C[N+](=O)[O-]

DOS

IR

Vibrations