Geometry & MOs

Info

ID:	148153
PubChem CID:	53787815
Reduced:	N3O7C25H33 (1)
Stoich.:	A3B7C25D33 (1)
Weight, g/mol:	487.23185
ΔH_f, kcal/mol:	-218.07
Dipole, Da:	5.4
IP(EA), eV:	-10.0(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(1-butoxy-3-methyl-1-oxobutan-2-yl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)[C@@H](C(C)C)NC(=O)C1=C(N=C(C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C

DOS

IR

Vibrations