Geometry & MOs

Info

ID:	265521
PubChem CID:	103527226
Reduced:	O2N3C18H33 (1)
Stoich.:	A2B3C18D33 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	-113.5
Dipole, Da:	4.15
IP(EA), eV:	-8.6(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CCCN1C=CC(=C1)CNCC(C)CN(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations