Geometry & MOs

Info

ID:	328831
PubChem CID:	126728328
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	204.129634
ΔH_f, kcal/mol:	-88.73
Dipole, Da:	2.43
IP(EA), eV:	-9.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(propan-2-ylamino)ethyl]-3-sulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)C2=CC(=CC(=C2)C(=O)O)C(=O)NC

DOS

IR

Vibrations