Geometry & MOs

Info

ID:	421226
PubChem CID:	135115619
Reduced:	N6O7C38H52 (1)
Stoich.:	A6B7C38D52 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-261.66
Dipole, Da:	2.1
IP(EA), eV:	-8.47(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2(CCCC2)C3=CC=C(C=C3)OC)C)CC4=CC=CC=C4

DOS

IR

Vibrations