Geometry & MOs

Info

ID:	310744
PubChem CID:	126587035
Reduced:	ClO4N8C37H47 (1)
Stoich.:	AB4C8D37E47 (1)
Weight, g/mol:	185.177964
ΔH_f, kcal/mol:	-33.36
Dipole, Da:	9.3
IP(EA), eV:	-8.25(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2,4,5-trimethylhexanamide

Drug info:

PubChemData

Smile

CC12C[C@@H]3C[C@H]1CC[C@H]2C3CC(=O)NCCCN4CCN(CC4)C5=CC(=C(C=C5)NC6=NC=C(C(=N6)NCC7=CC(=CC=C7)[N+](=O)[O-])Cl)OC

DOS

IR

Vibrations