Geometry & MOs

Info

ID:	319007
PubChem CID:	126654108
Reduced:	ON6C11H26 (2)
Stoich.:	AB6C11D26 (2)
Weight, g/mol:	458.212947
ΔH_f, kcal/mol:	-113.91
Dipole, Da:	3.82
IP(EA), eV:	-8.28(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[3-(difluoromethyl)diazirin-3-yl]phenyl]-2-hydroxybutoxy]-4-[4-(3-methyldiazirin-3-yl)phenyl]butan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCN1CCCNC(=O)[C@H](CCCNC(N)N)N)CCCNC(=O)[C@H](CCCNC(N)N)N

DOS

IR

Vibrations