Geometry & MOs

Info

ID:	204751
PubChem CID:	80003400
Reduced:	FN2O2C14H15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	216.147393
ΔH_f, kcal/mol:	-80.82
Dipole, Da:	3.95
IP(EA), eV:	-9.44(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=CC=C(O2)CN)F

DOS

IR

Vibrations