Geometry & MOs

Info

ID:	342915
PubChem CID:	127266078
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	328.159849
ΔH_f, kcal/mol:	-39.11
Dipole, Da:	2.26
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(2-methoxyethoxy)benzamide

Drug info:

PubChemData

Smile

CC1CN(C(CN1C(=O)C2=C(N3C(=CC(=N3)C)N=C2)C)C)CCO

DOS

IR

Vibrations