Geometry & MOs

Info

ID:	299747
PubChem CID:	117689142
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	241.102668
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	6.72
IP(EA), eV:	-9.28(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-azido-2-methylpropyl)-4-(difluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)C)OC[C@H]2C[C@@H]2C3=NC=C(C=C3)OC)C(=O)O

DOS

IR

Vibrations