Geometry & MOs

Info

ID:	423223
PubChem CID:	135119136
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	370.180504
ΔH_f, kcal/mol:	16.43
Dipole, Da:	3.97
IP(EA), eV:	-8.37(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)N3C[C@H]4CCC[C@@]([C@H]4C3)(C5=CC=CC=C5)O)SC=C2

DOS

IR

Vibrations