Geometry & MOs

Info

ID:	285874
PubChem CID:	104134178
Reduced:	ClO2N3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	312.12407
ΔH_f, kcal/mol:	-55.2
Dipole, Da:	1.37
IP(EA), eV:	-9.74(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-chloro-6-ethylpyridine-4-carbonyl)amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)N(C)CC(=O)NC2CC2)Cl

DOS

IR

Vibrations