Geometry & MOs

Info

ID:	173742
PubChem CID:	75677304
Reduced:	N3O3C24H26 (1)
Stoich.:	A3B3C24D26 (1)
Weight, g/mol:	389.112404
ΔH_f, kcal/mol:	-30.38
Dipole, Da:	23.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.951006
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-(3-methoxyphenyl)-4-(4-nitrophenyl)-3a,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=NC(=O)N(C3=O)C4CCCCC4)[O-])C

DOS

IR

Vibrations