Geometry & MOs

Info

ID:	323881
PubChem CID:	126676425
Reduced:	N4C9H10 (2)
Stoich.:	A4B9C10 (2)
Weight, g/mol:	445.295394
ΔH_f, kcal/mol:	156.48
Dipole, Da:	6.89
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,4E)-5-[1-[(1-benzylpyrrolidin-3-yl)methyl]pyrazol-4-yl]-4-[(5Z)-5-butylidene-1H-triazol-4-ylidene]pent-2-en-2-amine

Drug info:

PubChemData

Smile

CNCC1=CC=C(C=C1)CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations