Geometry & MOs

Info

ID:	423638
PubChem CID:	135119885
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-58.47
Dipole, Da:	4.53
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)N2CCC(CC2)C(CCC3=CC=CC=C3)O

DOS

IR

Vibrations