Geometry & MOs

Info

ID:	415574
PubChem CID:	135088570
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	297.124405
ΔH_f, kcal/mol:	-18.04
Dipole, Da:	2.5
IP(EA), eV:	-9.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1H-pyrazol-5-yl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N2CCCN(CC2)C(=O)C3=NC=CN=C3)C

DOS

IR

Vibrations