Geometry & MOs

Info

ID:	242759
PubChem CID:	99206136
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	422.15902
ΔH_f, kcal/mol:	-128.21
Dipole, Da:	3.82
IP(EA), eV:	-8.84(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]-1H-pyrazolo[1,5-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1CCNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CC=C3O

DOS

IR

Vibrations