Geometry & MOs

Info

ID:	249997
PubChem CID:	103093397
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	-64.19
Dipole, Da:	2.1
IP(EA), eV:	-8.17(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-ethyl-3-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=C(C=C(C=C1)OC)OC)/C

DOS

IR

Vibrations