Geometry & MOs

Info

ID:	330752
PubChem CID:	127248159
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	435.252192
ΔH_f, kcal/mol:	-28.15
Dipole, Da:	8.55
IP(EA), eV:	-9.4(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-azaspiro[4.5]decane-2-carbonyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CN(C)C(=O)C2(CCN(C2)C(=O)C)CC3=CC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations