Geometry & MOs

Info

ID:	421698
PubChem CID:	135116441
Reduced:	O3N5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-68.83
Dipole, Da:	3.03
IP(EA), eV:	-9.27(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)C(C2=CN=CC=C2)N3CCOCC3

DOS

IR

Vibrations