Geometry & MOs

Info

ID:	339697
PubChem CID:	127261699
Reduced:	O2N3C9H13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-23.92
Dipole, Da:	2.68
IP(EA), eV:	-9.0(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(E)-1-phenylbutan-2-ylideneamino]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NN/C(=C/1\C=CC=N1)/C

DOS

IR

Vibrations