Geometry & MOs

Info

ID:	182653
PubChem CID:	76919634
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	244.153541
ΔH_f, kcal/mol:	-78.36
Dipole, Da:	2.88
IP(EA), eV:	-8.61(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-oxopropan-2-yl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2(CCCCC2)C(=NO)N

DOS

IR

Vibrations