Geometry & MOs

Info

ID:	258600
PubChem CID:	103155551
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	302.144199
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	2.21
IP(EA), eV:	-8.87(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybutanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)CC(CN)OC

DOS

IR

Vibrations