Geometry & MOs

Info

ID:	39885
PubChem CID:	8142744
Reduced:	N2O3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-108.07
Dipole, Da:	4.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.775178
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2R)-2-[methyl-[(4-methylphenyl)methyl]amino]propanoyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH+](C)[C@H](C)C(=O)NC(=O)OC

DOS

IR

Vibrations