Geometry & MOs

Info

ID:	328784
PubChem CID:	126727757
Reduced:	SN2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	474.335862
ΔH_f, kcal/mol:	47.62
Dipole, Da:	1.07
IP(EA), eV:	-8.15(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[butyl(propyl)amino]-4-[7-methyl-4-[[3-(prop-1-en-2-ylamino)phenyl]methyl]quinazolin-6-yl]butan-2-ol

Drug info:

PubChemData

Smile

C/C=N\C(=C(C)C)SC1=CC=CC(=C1)NC=C

DOS

IR

Vibrations