Geometry & MOs

Info

ID:	305931
PubChem CID:	124974998
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-77.06
Dipole, Da:	4.8
IP(EA), eV:	-8.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[4-[(dimethylamino)methyl]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CNC1=CC=CC(=N1)[C@H]2CN(CCO2)C(=O)CCN3C=CC=CC3=O

DOS

IR

Vibrations