Geometry & MOs

Info

ID:	258516
PubChem CID:	103154655
Reduced:	O2N5C10H19 (1)
Stoich.:	A2B5C10D19 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-54.16
Dipole, Da:	3.47
IP(EA), eV:	-9.46(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[(4-amino-3-methoxybutanoyl)amino]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C1=NN=CN1C)NC(=O)CC(CN)OC

DOS

IR

Vibrations