Geometry & MOs

Info

ID:	342830
PubChem CID:	127265993
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	336.147393
ΔH_f, kcal/mol:	-54.22
Dipole, Da:	5.81
IP(EA), eV:	-8.24(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,4R)-1-[(4-cyanophenyl)methyl]-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CNC2=CN=C(C=C2)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations