Geometry & MOs

Info

ID:	80114
PubChem CID:	49833026
Reduced:	O2N3C27H37 (1)
Stoich.:	A2B3C27D37 (1)
Weight, g/mol:	437.267842
ΔH_f, kcal/mol:	-67.93
Dipole, Da:	4.64
IP(EA), eV:	-8.83(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-3-N-(4-methoxyphenyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)[C@@H](C)NC2CC[C@@H](C2)C3=CC=C(C=C3)C(=O)NC4CCNCC4

DOS

IR

Vibrations