Geometry & MOs

Info

ID:	46894
PubChem CID:	10528199
Reduced:	N6O7C20H30 (1)
Stoich.:	A6B7C20D30 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-214.72
Dipole, Da:	2.66
IP(EA), eV:	-9.65(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dicyclopropylmethylideneamino)oxy-3-(4-phenylanilino)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CCCN=C(N)N[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations