Geometry & MOs

Info

ID:	435639
PubChem CID:	135192022
Reduced:	N5C37H41 (1)
Stoich.:	A5B37C41 (1)
Weight, g/mol:	408.179755
ΔH_f, kcal/mol:	146.71
Dipole, Da:	8.18
IP(EA), eV:	-7.4(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-amino-2-(dimethylamino)phenoxy]-3-oxopropan-2-yl]-5-benzyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C=C(/C(=C(/C)\N)/C1=NC=C)C2=CC=C(C=C2)NC(=C)C3=CC4=C(CCCC4=C)N(C3=C)C5=CC=CC=C5

DOS

IR

Vibrations