Geometry & MOs

Info

ID:	445388
PubChem CID:	135266707
Reduced:	ON2C18H32 (1)
Stoich.:	AB2C18D32 (1)
Weight, g/mol:	480.19436
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	3.76
IP(EA), eV:	-8.98(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-N-[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]-3-piperidin-4-yliminoprop-1-ene-1,2-diamine

Drug info:

PubChemData

Smile

CCC(=NC)/C=C(\C)/N(CC1CCCC(C1)(C)CC)C=O

DOS

IR

Vibrations