Geometry & MOs

Info

ID:	249780
PubChem CID:	103092044
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	192.162649
ΔH_f, kcal/mol:	-52.21
Dipole, Da:	4.62
IP(EA), eV:	-8.36(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-4-(1-propylpyrrol-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC(=C(C=C1)O)OC)NC

DOS

IR

Vibrations