Geometry & MOs

Info

ID:	438692
PubChem CID:	135228443
Reduced:	ON7C27H45 (1)
Stoich.:	AB7C27D45 (1)
Weight, g/mol:	227.224915
ΔH_f, kcal/mol:	74.62
Dipole, Da:	6.88
IP(EA), eV:	-8.8(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-ethyl-6-methoxy-2,5-dimethyl-N-propylhex-1-en-3-amine

Drug info:

PubChemData

Smile

CCC(CCN1C(=NN=N1)C(CC(=C)NC)N(CCNC)CC(=O)CC/C=C\C=C)/C=C\C=C/C

DOS

IR

Vibrations