Geometry & MOs

Info

ID:	1099
PubChem CID:	3784
Reduced:	N3O5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	371.148121
ΔH_f, kcal/mol:	-105.4
Dipole, Da:	8.58
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-methyl 5-O-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC

DOS

IR

Vibrations