Geometry & MOs

Info

ID:	318633
PubChem CID:	126652496
Reduced:	N2O5H16C19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	408.217971
ΔH_f, kcal/mol:	-154.76
Dipole, Da:	13.5
IP(EA), eV:	-9.35(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(4S)-2-[(4-chlorophenyl)methyl]-4-methoxypyrrolidin-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=C(C(=O)C3=CC=CC=C32)C(=O)NCC(=O)O)O

DOS

IR

Vibrations