Geometry & MOs

Info

ID:	251122
PubChem CID:	103101632
Reduced:	NOC4H7 (2)
Stoich.:	ABC4D7 (2)
Weight, g/mol:	243.158292
ΔH_f, kcal/mol:	-87.65
Dipole, Da:	3.46
IP(EA), eV:	-9.57(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-(2-amino-2-oxoethyl)-N-ethyloxane-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)/C=C/C

DOS

IR

Vibrations