Geometry & MOs

Info

ID:	417555
PubChem CID:	135102031
Reduced:	N5C18H23 (1)
Stoich.:	A5B18C23 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	40.33
Dipole, Da:	3.21
IP(EA), eV:	-8.57(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(dimethylamino)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NC(=N2)CCCNC3=NC(=CC(=N3)C)C)C

DOS

IR

Vibrations