Geometry & MOs

Info

ID:	313402
PubChem CID:	126614433
Reduced:	NO3H61C64 (1)
Stoich.:	AB3C61D64 (1)
Weight, g/mol:	275.1674
ΔH_f, kcal/mol:	34.53
Dipole, Da:	2.68
IP(EA), eV:	-7.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylphenyl)-2-(2-methylphenyl)-1,2-dihydropyridine

Drug info:

Smile

CC1(C2=C(C=C(C=C2)C3=C(C(=CC=C3)C4=CC5=C(C=C4)C(C(C5(C)C)(C)C)(C)C)N6C7=C(C=C(C=C7)C8=CC9=CC=CC=C9O8)OC2=C6C=CC(=C2)C2=CC3=CC=CC=C3O2)C(C1(C)C)(C)C)C

DOS

IR

Vibrations