Geometry & MOs

Info

ID:	330082
PubChem CID:	127247069
Reduced:	N5C19H29 (1)
Stoich.:	A5B19C29 (1)
Weight, g/mol:	229.132746
ΔH_f, kcal/mol:	31.42
Dipole, Da:	6.0
IP(EA), eV:	-8.67(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CCN(C2)CC3=NC=CN3C(C)C)N(C)C

DOS

IR

Vibrations