Geometry & MOs

Info

ID:	440871
PubChem CID:	135231938
Reduced:	SN2O7C24H38 (1)
Stoich.:	AB2C7D24E38 (1)
Weight, g/mol:	377.315461
ΔH_f, kcal/mol:	-319.17
Dipole, Da:	8.32
IP(EA), eV:	-8.8(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(aminomethyl)-1-(oxan-2-yl)pyrazol-3-yl]propyl]-N'-cyclohexylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CSCC(C(=O)O)NC(=O)N(CC(=O)O)CC(=O)OC)/C)/C)C

DOS

IR

Vibrations