Geometry & MOs

Info

ID:	84306
PubChem CID:	49865672
Reduced:	N4O4C29H36 (1)
Stoich.:	A4B4C29D36 (1)
Weight, g/mol:	490.258006
ΔH_f, kcal/mol:	-100.74
Dipole, Da:	2.79
IP(EA), eV:	-8.7(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-2-[6-[3-(4-hydroxypiperidin-1-yl)propoxy]-4-oxo-2-phenylquinazolin-3-yl]acetamide

Drug info:

PubChemData

Smile

COC1CCN(CC1)CCCOC2=CC3=C(C=C2)N=C(N(C3=O)CC(=O)NCC4CC4)C5=CC=CC=C5

DOS

IR

Vibrations