Geometry & MOs

Info

ID:	445391
PubChem CID:	135266761
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	253.240565
ΔH_f, kcal/mol:	-40.18
Dipole, Da:	2.47
IP(EA), eV:	-9.51(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-ethyl-3-methylcyclohexyl)methyl-prop-1-en-2-ylamino]propan-1-ol

Drug info:

PubChemData

Smile

CC1(CCNC1)CN(CC2CCCC(C2)CN3C=NC4=C3C=C(C=C4)C#N)C(=O)O

DOS

IR

Vibrations