Geometry & MOs

Info

ID:	29644
PubChem CID:	836042
Reduced:	O2N5C13H21 (1)
Stoich.:	A2B5C13D21 (1)
Weight, g/mol:	339.183444
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	4.95
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCN1C2=C(N=C1N(CC)CC)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations