Geometry & MOs

Info

ID:	51997
PubChem CID:	12014768
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	5.3
IP(EA), eV:	-8.78(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-[2-(3-ethenyl-1H-pyrrol-2-yl)propyl-methylamino]but-2-enedioate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC2=C(N1)C(CN(C2C)C)C)/C#N

DOS

IR

Vibrations