Geometry & MOs

Info

ID:	151235
PubChem CID:	53790935
Reduced:	O3C19H36 (1)
Stoich.:	A3B19C36 (1)
Weight, g/mol:	327.148396
ΔH_f, kcal/mol:	-185.74
Dipole, Da:	1.97
IP(EA), eV:	-10.24(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(2H-1,4-diazepin-5-yl)quinazolin-4-amine

Drug info:

PubChemData

Smile

COC(=O)C=CCCCCCCCCCCCCCCCO

DOS

IR

Vibrations