Geometry & MOs

Info

ID:	178656
PubChem CID:	76363607
Reduced:	O3N4C26H32 (1)
Stoich.:	A3B4C26D32 (1)
Weight, g/mol:	456.284889
ΔH_f, kcal/mol:	-39.36
Dipole, Da:	2.09
IP(EA), eV:	-9.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-morpholin-4-ylpropyl)-5-oxo-N-(pyridin-4-ylmethyl)-2,3,3a,4,5a,6,7,8,9,9a-decahydro-1H-pyrazolo[1,5-a]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)C=CC(=O)N(CCCN3CCOCC3)CC4=CC=NC=C4

DOS

IR

Vibrations