Geometry & MOs

Info

ID:	305799
PubChem CID:	124969670
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	356.268845
ΔH_f, kcal/mol:	-32.44
Dipole, Da:	7.78
IP(EA), eV:	-8.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2R)-1-[(1-butyl-3-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-N,N-dimethylmethanamine

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1CN(CC2)C)[C@@H]3CCN(C3)C(=O)CCC4=CC=CC=C4OC

DOS

IR

Vibrations