Geometry & MOs

Info

ID:	196038
PubChem CID:	78769269
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	4.33
Dipole, Da:	2.29
IP(EA), eV:	-8.84(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methylcyclohex-3-en-1-yl)methyl 4-(4-oxo-1H-quinazolin-2-yl)butanoate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CCCOC(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N

DOS

IR

Vibrations