Geometry & MOs

Info

ID:	422949
PubChem CID:	135118668
Reduced:	ON6C19H20 (1)
Stoich.:	AB6C19D20 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	52.48
Dipole, Da:	1.49
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)N2CCN(CC2)C3=NC=NC4=CC=CC=C43

DOS

IR

Vibrations