Geometry & MOs

Info

ID:	203281
PubChem CID:	79807894
Reduced:	NSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	289.044046
ΔH_f, kcal/mol:	-43.52
Dipole, Da:	5.16
IP(EA), eV:	-9.19(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-methyl-2-(4-methylthiophen-3-yl)quinazolin-4-amine

Drug info:

PubChemData

Smile

CC1=CSC=C1C(=O)NC(CO)C2=CC=CC=C2

DOS

IR

Vibrations