Geometry & MOs

Info

ID:	189080
PubChem CID:	77813349
Reduced:	N4O4C29H36 (1)
Stoich.:	A4B4C29D36 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-133.46
Dipole, Da:	4.21
IP(EA), eV:	-8.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propyl-6H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC(=C1)CN2C(=C(N(C2=O)C3CCCCC3O)C4=CC=CC=C4)C(=O)N5CCNCC5)O

DOS

IR

Vibrations