Geometry & MOs

Info

ID:	172738
PubChem CID:	75545620
Reduced:	FN3O3C28H34 (1)
Stoich.:	AB3C3D28E34 (1)
Weight, g/mol:	491.242021
ΔH_f, kcal/mol:	-168.43
Dipole, Da:	7.63
IP(EA), eV:	-9.14(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[(5-formyl-2-methoxyphenyl)methyl]-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-3-yl]phenyl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)CC1=CC=C(C=C1)N2C(=O)C3CCCCC3N(C2=O)CC4=CC=CC=C4F

DOS

IR

Vibrations