Geometry & MOs

Info

ID:	425648
PubChem CID:	135127121
Reduced:	N4O7C15H18 (1)
Stoich.:	A4B7C15D18 (1)
Weight, g/mol:	421.157246
ΔH_f, kcal/mol:	-226.18
Dipole, Da:	6.42
IP(EA), eV:	-9.06(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[6-[4-[(dimethylamino)methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(CC1=CC(=O)C(=CN1)OC2=CN=C(O2)CC(C(=O)O)N)(C(=O)O)N

DOS

IR

Vibrations