Geometry & MOs

Info

ID:	205286
PubChem CID:	80080597
Reduced:	ON2C14H24 (1)
Stoich.:	AB2C14D24 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	-44.07
Dipole, Da:	2.22
IP(EA), eV:	-7.93(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-5-methyl-N-propan-2-ylanilino)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)N(CCOC)CC(C)C

DOS

IR

Vibrations