Geometry & MOs

Info

ID:	214231
PubChem CID:	84974722
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	384.087685
ΔH_f, kcal/mol:	-92.73
Dipole, Da:	5.64
IP(EA), eV:	-7.95(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)C(=O)C

DOS

IR

Vibrations