Geometry & MOs

Info

ID:	148327
PubChem CID:	53787989
Reduced:	ClNOC22H28 (1)
Stoich.:	ABCD22E28 (1)
Weight, g/mol:	389.05276
ΔH_f, kcal/mol:	-30.13
Dipole, Da:	3.25
IP(EA), eV:	-8.3(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-benzylphenyl)-6-bromoquinazolin-4-amine

Drug info:

PubChemData

Smile

CCN(CCOC1=CC=C(C=C1)C2CCCCC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations