Geometry & MOs

Info

ID:	418042
PubChem CID:	135103366
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	290.247047
ΔH_f, kcal/mol:	-192.25
Dipole, Da:	2.6
IP(EA), eV:	-8.98(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N,N'-dimethyl-N'-(2-methyl-5-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations