Geometry & MOs

Info

ID:	142765
PubChem CID:	53089167
Reduced:	ClO4N5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-57.42
Dipole, Da:	6.93
IP(EA), eV:	-8.5(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methyl]-N-(3-pyrrolidin-1-ylpropyl)-1,3-benzoxazole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=C(OC(=N3)C4=C(C=C(C=C4)OC)OC)C)C)Cl

DOS

IR

Vibrations