Geometry & MOs

Info

ID:	242789
PubChem CID:	99206336
Reduced:	FO2N3C25H32 (1)
Stoich.:	AB2C3D25E32 (1)
Weight, g/mol:	376.153541
ΔH_f, kcal/mol:	-122.69
Dipole, Da:	8.48
IP(EA), eV:	-8.61(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-[(4-propoxyphenyl)methyl]-1H-pyrazolo[1,5-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C[C@H](C1=CC=C(C=C1)F)NC(=O)C2=CC=C(C=C2)N3CCC[C@@H](C3)C(=O)N

DOS

IR

Vibrations