Geometry & MOs

Info

ID:	420391
PubChem CID:	135112903
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	312.08116
ΔH_f, kcal/mol:	-66.16
Dipole, Da:	2.93
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCC1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations