Geometry & MOs

Info

ID:	145954
PubChem CID:	53618128
Reduced:	ON2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	-42.42
Dipole, Da:	5.51
IP(EA), eV:	-9.09(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCCC2C3CCCN3C(=O)C

DOS

IR

Vibrations