Geometry & MOs

Info

ID:	435069
PubChem CID:	135179525
Reduced:	ClF2N5O7H38C40 (1)
Stoich.:	AB2C5D7E38F40 (1)
Weight, g/mol:	339.386501
ΔH_f, kcal/mol:	-256.9
Dipole, Da:	1.96
IP(EA), eV:	-8.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-N-heptan-2-yl-2,7-dimethyl-3-propylnonan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CN(C2=C1C=C(C=C2)C3=CN=C(N=C3)O[C@@H]4CO[C@H]5[C@@H]4OC[C@H]5OC)CC(=O)N6C[C@@H](C[C@H]6C(=O)NC7=CC=CC(=C7F)C8=CC=CC=C8Cl)F)O

DOS

IR

Vibrations