Geometry & MOs

Info

ID:	145361
PubChem CID:	53509457
Reduced:	ClN4O4C11H13 (1)
Stoich.:	AB4C4D11E13 (1)
Weight, g/mol:	348.05857
ΔH_f, kcal/mol:	-145.66
Dipole, Da:	7.27
IP(EA), eV:	-9.63(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(8-bromoquinazolin-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCOC1=NC(=C(C=C1)Cl)C(=O)NC(C(=O)N)C(=O)N

DOS

IR

Vibrations