Geometry & MOs

Info

ID:	182492
PubChem CID:	76894226
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	308.155849
ΔH_f, kcal/mol:	-116.67
Dipole, Da:	6.21
IP(EA), eV:	-8.91(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)O)NC(=O)C2CC3=CC=CC=C3N2

DOS

IR

Vibrations