Geometry & MOs

Info

ID:	249937
PubChem CID:	103093001
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	178.146999
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	1.71
IP(EA), eV:	-8.89(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations