Geometry & MOs

Info

ID:	146689
PubChem CID:	53730874
Reduced:	N3C8H11 (1)
Stoich.:	A3B8C11 (1)
Weight, g/mol:	549.2475
ΔH_f, kcal/mol:	64.05
Dipole, Da:	3.04
IP(EA), eV:	-9.3(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methyl-5-[[3-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]-4-(3-nitrophenyl)-6-phenyl-3,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=NC=C1)N=NC

DOS

IR

Vibrations