Geometry & MOs

Info

ID:	421989
PubChem CID:	135116972
Reduced:	N6O7C37H48 (1)
Stoich.:	A6B7C37D48 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-250.54
Dipole, Da:	3.19
IP(EA), eV:	-8.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCC1=C(N=CO1)C(=O)N2CCCCNC(=O)[C@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C3=CC=C(C2)C=C3)[C@@H](C)CC)CC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations