Geometry & MOs

Info

ID:	178137
PubChem CID:	76284143
Reduced:	BrSO2N3H14C18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	433.247775
ΔH_f, kcal/mol:	60.56
Dipole, Da:	1.86
IP(EA), eV:	-9.05(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[(8-methylquinazolin-2-yl)amino]-N-(4-pyrrolidin-1-ylbutyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CSC2=NC=NC(=C12)OCC3=CC(=NO3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations