Geometry & MOs

Info

ID:	172041
PubChem CID:	75458535
Reduced:	ClON2H11C15 (2)
Stoich.:	ABC2D11E15 (2)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	61.11
Dipole, Da:	6.67
IP(EA), eV:	-8.49(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-methyl-N-[[1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidin-2-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCC(=O)N1C(C/C(=C\2/C(=C3C=CC=CC3=NC2=O)C4=CC=C(C=C4)Cl)/N1)C5=CC6=CC=CC=C6N=C5Cl

DOS

IR

Vibrations