Geometry & MOs

Info

ID:	81969
PubChem CID:	49855418
Reduced:	O2N5H23C26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	467.232125
ΔH_f, kcal/mol:	74.7
Dipole, Da:	7.61
IP(EA), eV:	-8.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methylbut-2-enyl-[(3-methyl-4-oxoquinazolin-6-yl)methyl]amino]-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CN1C=NC2=C(C1=O)C=C(C=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4

DOS

IR

Vibrations