Geometry & MOs

Info

ID:	274879
PubChem CID:	103812184
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	212.188863
ΔH_f, kcal/mol:	-108.61
Dipole, Da:	6.7
IP(EA), eV:	-9.22(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]butanamide

Drug info:

PubChemData

Smile

C1COC(CN1)CC(=O)NCC(C2=CSC=C2)O

DOS

IR

Vibrations