Geometry & MOs

Info

ID:	55577
PubChem CID:	17395587
Reduced:	FO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	298.125218
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	2.78
IP(EA), eV:	-9.48(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN(C)C(C)C2=CC=C(C=C2)F

DOS

IR

Vibrations