Geometry & MOs

Info

ID:	330396
PubChem CID:	127247383
Reduced:	N5C14H19 (1)
Stoich.:	A5B14C19 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	66.95
Dipole, Da:	2.61
IP(EA), eV:	-9.13(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)CN2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations