Geometry & MOs

Info

ID:	433917
PubChem CID:	135174064
Reduced:	BrN8H31C34 (1)
Stoich.:	AB8C31D34 (1)
Weight, g/mol:	376.19158
ΔH_f, kcal/mol:	167.35
Dipole, Da:	3.57
IP(EA), eV:	-8.37(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[phenoxy-(1-phenylmethoxypropan-2-ylamino)phosphanyl]methoxy]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=NC3=C2N=CC(=C3)Br)C4=C(C(=CC=C4)NC5=NC=CC6=CC(=CN=C65)CN7CCCC7)C

DOS

IR

Vibrations