Geometry & MOs

Info

ID:	135865
PubChem CID:	51951461
Reduced:	FO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	379.169605
ΔH_f, kcal/mol:	-68.03
Dipole, Da:	2.46
IP(EA), eV:	-9.29(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](C3CCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations