Geometry & MOs

Info

ID:	416141
PubChem CID:	135089149
Reduced:	ClO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-63.32
Dipole, Da:	3.98
IP(EA), eV:	-9.3(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C=CC=C(C2=N1)Cl)C(=O)N(C)[C@@H]3C[C@@H]4CC(=O)NC[C@@H]4C3

DOS

IR

Vibrations