Geometry & MOs

Info

ID:	330641
PubChem CID:	127248048
Reduced:	N4O4C17H30 (1)
Stoich.:	A4B4C17D30 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-188.67
Dipole, Da:	3.78
IP(EA), eV:	-8.94(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)CC(=O)N2CCC(C2)(CN3CCOCC3)O

DOS

IR

Vibrations