Geometry & MOs

Info

ID:	448760
PubChem CID:	135293417
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-80.58
Dipole, Da:	4.24
IP(EA), eV:	-9.18(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-amino-5-(azetidine-1-carboximidoyl)pyridin-2-yl]-3-[(1R)-1-phenylethyl]urea

Drug info:

PubChemData

Smile

CC(C)C(=C)C(=O)NCCCCOC=C

DOS

IR

Vibrations