Geometry & MOs

Info

ID:	435018
PubChem CID:	135177624
Reduced:	ISO2N4C27H37 (1)
Stoich.:	ABC2D4E27F37 (1)
Weight, g/mol:	571.367496
ΔH_f, kcal/mol:	-52.62
Dipole, Da:	6.98
IP(EA), eV:	-8.89(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-[2-(benzylamino)prop-2-enyl]-3-(4-phenylphenyl)-4H-quinazolin-2-yl]-N,N,N'-trimethylpentane-1,5-diamine

Drug info:

PubChemData

Smile

CCC1CCCCN1CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C/C(=C/C=C(\CC)/I)/C

DOS

IR

Vibrations