Geometry & MOs

Info

ID:	26019
PubChem CID:	636385
Reduced:	N3O7C23H31 (1)
Stoich.:	A3B7C23D31 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	-290.09
Dipole, Da:	9.05
IP(EA), eV:	-9.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(CCCC2=CN=CC=C2)C(=O)[C@H](C)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations