Geometry & MOs

Info

ID:	320088
PubChem CID:	126658167
Reduced:	O4N5C18H23 (1)
Stoich.:	A4B5C18D23 (1)
Weight, g/mol:	205.18305
ΔH_f, kcal/mol:	-146.21
Dipole, Da:	2.18
IP(EA), eV:	-8.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z)-N-ethyl-N,2-dimethyl-4-propan-2-ylhepta-2,4-dien-6-yn-1-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=CC=C2)NC(=O)CN(C)C)C(=O)N1C3CCC(=O)NC3O

DOS

IR

Vibrations