Geometry & MOs

Info

ID:	414575
PubChem CID:	135087534
Reduced:	NSO2C19H25 (1)
Stoich.:	ABC2D19E25 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-81.72
Dipole, Da:	4.23
IP(EA), eV:	-8.88(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethylphenyl)-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)C3=CSC4=C3CCCC4)OCC1

DOS

IR

Vibrations