Geometry & MOs

Info

ID:	249926
PubChem CID:	103092907
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	206.178299
ΔH_f, kcal/mol:	-26.36
Dipole, Da:	1.62
IP(EA), eV:	-8.34(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N,3-dimethyl-4-(1,2,5-trimethylpyrrol-3-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C(\C)/C(C)NC)OC

DOS

IR

Vibrations