Geometry & MOs

Info

ID:	315255
PubChem CID:	126625281
Reduced:	O3N9C24H25 (1)
Stoich.:	A3B9C24D25 (1)
Weight, g/mol:	197.21435
ΔH_f, kcal/mol:	97.88
Dipole, Da:	4.86
IP(EA), eV:	-8.25(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(3-methylbut-1-en-2-yl)heptan-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)NC4=C3C(=NC(=N4)N)NC5=C6CCCC6=NN5C(C)N=O)OC

DOS

IR

Vibrations