Geometry & MOs

Info

ID:	70920
PubChem CID:	48414048
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	325.088498
ΔH_f, kcal/mol:	-90.89
Dipole, Da:	4.75
IP(EA), eV:	-8.94(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4H-thieno[3,2-c]chromene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC(=C2)NC(=O)C)NC(=O)C

DOS

IR

Vibrations