Geometry & MOs

Info

ID:	129116
PubChem CID:	51070954
Reduced:	FNOC21H26 (1)
Stoich.:	ABCD21E26 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-64.95
Dipole, Da:	1.7
IP(EA), eV:	-8.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,4-dihydrochromeno[4,3-c]pyrazol-3-yl)-N-(1-methoxybutan-2-yl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CN2CCC(CC2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations